SCHEMBL799218

SCHEMBL799218

CC(C)CCOc1ccccc1NC(=O)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 7/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
CSNK1D P48730 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
DYRK1A Q13627 1/20 0.51
ABL1 P00519 2/20 0.49
P2RY1 P47900 1/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL798882 0.83 MEN1 (0.51) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL798733 0.83 PIK3CG (0.61) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL798966 0.81 MEN1 (0.52) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL172057 0.79 RAB9A (0.46) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL172061 0.76 MAPT (0.45) RAB9ANPC1MEN1KMT2ADYRK1A
SCHEMBL172085 0.74 ABL1 (0.49) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL799160 0.74 MEN1 (0.48) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL18824277 0.73 DYRK1A (0.74) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL25001241 0.73 RAB9A (0.82) RAB9ANPC1MEN1KMT2ACSNK1D
SCHEMBL25001209 0.72 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACSNK1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 RAB9A 1096/4885NPC1 1283/4885MEN1 2694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.